4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

C20H21N3O4 — CID 134019693

About 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide

4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (PubChem CID 134019693) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
• PubChem CID: 134019693
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide
• SMILES: Cc1ccc(C(=O)NC(C(=O)Nc2ccc3oc(=O)[nH]c3c2)C(C)C)cc1
• InChI: InChI=1S/C20H21N3O4/c1-11(2)17(23-18(24)13-6-4-12(3)5-7-13)19(25)21-14-8-9-16-15(10-14)22-20(26)27-16/h4-11,17H,1-3H3,(H,21,25)(H,22,26)(H,23,24)
• InChIKey: OPYQGDNMLGIEIH-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 104.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide (CID 134019693) is 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)Nc2ccc3oc(=O)[nH]c3c2)C(C)C)cc1.

What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

The InChIKey is OPYQGDNMLGIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-11(2)17(23-18(24)13-6-4-12(3)5-7-13)19(25)21-14-8-9-16-15(10-14)22-20(26)27-16/h4-11,17H,1-3H3,(H,21,25)(H,22,26)(H,23,24).

What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide?

4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-1-oxo-1-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 134019693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).